1-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]urea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]urea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]urea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]urea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]urea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]urea Formula: C14H14ClFN6O5 MolecularWeight: 400.749563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)NC1=CC(=C(C=C1)F)Cl)N2C=C(C(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NNC(=O)NC1=CC(=C(C=C1)F)Cl)N2C=C(C(=N2)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClFN6O5/c1-7(21-6-11(22(25)26)13(20-21)27-2)12(23)18-19-14(24)17-8-3-4-10(16)9(15)5-8/h3-7H,1-2H3,(H,18,23)(H2,17,19,24)